⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25767905 | 0.73 | GAA (0.35) | — | |
| SCHEMBL27796675 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL8774655 | 0.62 | MAPT (0.36) | — | |
| SCHEMBL6753781 | 0.60 | — | — | |
| SCHEMBL17979662 | 0.54 | — | — | |
| SCHEMBL2618677 | 0.52 | ADRA2C (0.50) | — | |
| SCHEMBL28087632 | 0.51 | ALDH1A1 (0.41) | — | |
| SCHEMBL18574479 | 0.51 | — | — | |
| SCHEMBL2038342 | 0.50 | — | — | |
| SCHEMBL9509081 | 0.46 | TSHR (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012062615-A2 | BINDER FOR WOOD MATERIALS | EVONIK DEGUSSA GMBH (DE) | 2012-05-18 | — | — | WO | disclosed |